Information card for entry 7127158

Structure parameters

• Formula: C48 H54 B2 F12 Si4
• Calculated formula: C48 H54 B2 F12 Si4
• Title of publication: Using the FpXylBH₂•SMe₂ reagent for the regioselective synthesis of cyclic bis(alkenyl)boranes.
• Authors of publication: Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 81
• Pages of publication: 12178 - 12181
• a: 13.3784 ± 0.0011 Å
• b: 14.431 ± 0.0013 Å
• c: 16.3141 ± 0.0014 Å
• α: 65.319 ± 0.002°
• β: 66.05 ± 0.002°
• γ: 78.62 ± 0.002°
• Cell volume: 2614 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1128
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No